117590-83-7 ((N-(7α)-7-Hydroxy-3,24-dioxochol-4-en-24-ylglycine)

N-(7α)-7-Hydroxy-3,24-dioxochol-4-en-24-ylglycine(117590-83-7)名称与标识符

名称

英文别名:
N-[(7α)-7-Hydroxy-3,24-dioxochol-4-en-24-yl]glycine;Glycine, N-[(7α)-7-hydroxy-3,24-dioxochol-4-en-24-yl]-;N-[(7a)-7-Hydroxy-3,24-dioxochol-4-en-24-yl]glycine;

标识符

InChIKey:
RJARQVHGCJUKLX-TYQSNJPPSA-N
Inchi:
1S/C26H39NO5/c1-15(4-7-22(30)27-14-23(31)32)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)29/h12,15,18-21,24,29H,4-11,13-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,18-,19+,20+,21-,24+,25+,26-/m1/s1
SMILES:
C[C@]12CC[C@]3([H])[C@]4(CCC(=O)C=C4C[C@@H](O)[C@@]3([H])[C@]1([H])CC[C@]2([H])[C@H](C)CCC(=O)NCC(=O)O)C

N-(7α)-7-Hydroxy-3,24-dioxochol-4-en-24-ylglycine(117590-83-7)物化性质

实验特性

  • 沸点 : 676.5±45.0 °C(Predicted)
  • 酸度系数(pKa) : 3.58±0.10(Predicted)
  • 密度 : 1.20±0.1 g/cm3(Predicted)